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56-12-2

γ-氨基丁酸(56-12-2)紅外圖譜(IR1)

產(chǎn)品名稱:γ-氨基丁酸

CAS:56-12-2

分子式:C4H9NO2

分子量: 103.12

InChI:InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCN

  • 圖譜
    Mass 

    MS-NW-6199          
4-amino-n-butyric acid
C4H9NO2             (Mass of molecular ion:    103)


       Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          17.0       1.6
      18.0       6.9
      26.0       1.7
      27.0       4.5
      28.0      12.5
      29.0       3.3
      30.0     100.0
      31.0       2.2
      39.0       2.7
      40.0       1.8
      41.0       9.8
      42.0       8.9
      43.0      14.0
      44.0       9.8
      45.0       2.2
      55.0       1.3
      56.0       4.5
      57.0       1.1
      69.0       1.4
      84.0       4.5
      85.0      11.7
      86.0       1.5
     103.0       5.7

90 MHz in D2O

  • 圖譜

    1H NMR 89.56 MHz
    C4 H9 N O2 0.046 g : 0.5 ml D2O
    4-amino-N-butyric acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.015
      B             2.280
      C             1.906
     
     SOLVENT PEAK REMOVED
  

         Hz     ppm     Int.


        278.05   3.105    550
    270.87   3.025   1000
    263.35   2.941    769
    214.56   2.396    297
    213.02   2.379    304
    206.27   2.304    872
    199.78   2.231    770
    199.18   2.224    761
    184.57   2.061    226
    183.12   2.045    214
    176.54   1.972    471
    169.62   1.894    582
    162.61   1.816    314
    161.24   1.801    261
    155.77   1.740     91
    153.98   1.720     77

in D2O

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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